1-(4-tert-butylphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea

C24H24N4O2S — CID 90563880

About 1-(4-tert-butylphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea

1-(4-tert-butylphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea (PubChem CID 90563880) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea.

Molecular Properties

• Compound Name: 1-(4-tert-butylphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
• PubChem CID: 90563880
• Molecular Formula: C24H24N4O2S
• Molecular Weight: 432.55 g/mol
• Exact Mass: 432.16
• IUPAC Name: 1-(4-tert-butylphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
• SMILES: CC(C)(C)c1ccc(NC(=O)Nc2ccccc2Cc2nc(-c3cccs3)no2)cc1
• InChI: InChI=1S/C24H24N4O2S/c1-24(2,3)17-10-12-18(13-11-17)25-23(29)26-19-8-5-4-7-16(19)15-21-27-22(28-30-21)20-9-6-14-31-20/h4-14H,15H2,1-3H3,(H2,25,26,29)
• InChIKey: LZWYNDHEPWUDJR-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 80.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.55
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?

The IUPAC name of 1-(4-tert-butylphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea (CID 90563880) is 1-(4-tert-butylphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea.

What is the SMILES notation for 1-(4-tert-butylphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?

The canonical SMILES for 1-(4-tert-butylphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea is CC(C)(C)c1ccc(NC(=O)Nc2ccccc2Cc2nc(-c3cccs3)no2)cc1.

What is the InChIKey of 1-(4-tert-butylphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?

The InChIKey is LZWYNDHEPWUDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-24(2,3)17-10-12-18(13-11-17)25-23(29)26-19-8-5-4-7-16(19)15-21-27-22(28-30-21)20-9-6-14-31-20/h4-14H,15H2,1-3H3,(H2,25,26,29).

What are the key properties of 1-(4-tert-butylphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea?

1-(4-tert-butylphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea has a molecular weight of 432.55 g/mol, XLogP of 6.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-tert-butylphenyl)-3-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea is sourced from PubChem (CID 90563880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).